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Title: Electronic structure and magnetism in g-C{sub 4}N{sub 3} controlled by strain engineering

Regulation of magnetism and half-metallicity has attracted much attention because of its potential in spintronics. The magnetic properties and electronic structure of graphitic carbon nitride (g-C{sub 4}N{sub 3}) with external strain are determined theoretically based on the density function theory and many-body perturbation theory (G{sub 0}W{sub 0}). Asymmetric deformation induced by uniaxial strain not only regulates the magnetic characteristics but also leads to a transformation from half-metallicity to metallicity. However, this transition cannot occur in the structure with symmetric deformation induced by biaxial strain. Our results suggest the use of strain engineering in metal-free spintronics applications.
Authors:
;  [1] ;  [1] ;  [2] ;  [3]
  1. Key Laboratory of Modern Acoustics, MOE, Institute of Acoustics, Collaborative Innovation Center of Advanced Microstructures, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093 (China)
  2. (China)
  3. Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong (China)
Publication Date:
OSTI Identifier:
22398822
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 13; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ASYMMETRY; CARBON NITRIDES; DEFORMATION; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; GRAPHITE; MAGNETIC PROPERTIES; MAGNETISM; MANY-BODY PROBLEM; METALLICITY; PERTURBATION THEORY; PHASE TRANSFORMATIONS; POTENTIALS; STRAINS; SYMMETRY